N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide

C20H33N5O2 — CID 123692323

IUPACN-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCOC1CN(c2ncc(C)cc2C(=O)NC(C)N)CCC1NC1CCCC1
InChIInChI=1S/C20H33N5O2/c1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h10-11,14-15,17-18,24H,4-9,12,21H2,1-3H3,(H,23,26)
InChIKeyDCNNIRFGEDNQHZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.55
Rot. Bonds6

About N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide

N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide (PubChem CID 123692323) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
PubChem CID123692323
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCOC1CN(c2ncc(C)cc2C(=O)NC(C)N)CCC1NC1CCCC1
InChIInChI=1S/C20H33N5O2/c1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h10-11,14-15,17-18,24H,4-9,12,21H2,1-3H3,(H,23,26)
InChIKeyDCNNIRFGEDNQHZ-UHFFFAOYSA-N
XLogP1.55
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide (CID 123692323) is N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide is COC1CN(c2ncc(C)cc2C(=O)NC(C)N)CCC1NC1CCCC1.
What is the InChIKey of N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is DCNNIRFGEDNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-13-10-16(20(26)23-14(2)21)19(22-11-13)25-9-8-17(18(12-25)27-3)24-15-6-4-5-7-15/h10-11,14-15,17-18,24H,4-9,12,21H2,1-3H3,(H,23,26).
What are the key properties of N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide?
N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 123692323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).